1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene

C17H25N3O3S — CID 47070253

IUPAC1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene
SMILESCOc1ccccc1C1(CNS(=O)(=O)N(C)CCC#N)CCCC1
InChIInChI=1S/C17H25N3O3S/c1-20(13-7-12-18)24(21,22)19-14-17(10-5-6-11-17)15-8-3-4-9-16(15)23-2/h3-4,8-9,19H,5-7,10-11,13-14H2,1-2H3
InChIKeyCJNFUFXCEHTASX-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.19
Rot. Bonds8

About 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene

1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene (PubChem CID 47070253) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene
PubChem CID47070253
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene
SMILESCOc1ccccc1C1(CNS(=O)(=O)N(C)CCC#N)CCCC1
InChIInChI=1S/C17H25N3O3S/c1-20(13-7-12-18)24(21,22)19-14-17(10-5-6-11-17)15-8-3-4-9-16(15)23-2/h3-4,8-9,19H,5-7,10-11,13-14H2,1-2H3
InChIKeyCJNFUFXCEHTASX-UHFFFAOYSA-N
XLogP2.19
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxybenzyl)-N,N-dimethylsulfamide
CID 669909
1-Methoxy-2-[2-(sulfamoylamino)ethyl]benzene
CID 72202021
1-(2-Methoxyphenyl)cyclopropanemethanamine
CID 15611181
(1-(2-Methoxyphenyl)cyclobutyl)methanamine
CID 16641705
2-(2-Methoxyphenyl)-2-methylpropan-1-amine
CID 24273715
1-(1-(2-Methoxyphenyl)cyclohexyl)methanamine
CID 24273721
2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethylsulfamoylsulfamoyl]ethanamine
CID 12781216
2-[2-(Diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene
CID 31079146
2-[2-(Dipropylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene
CID 40061153
(1-(2-Methoxyphenyl)cyclopentyl)methanamine
CID 16641707
1-[1-(2-Methoxyphenyl)cyclobutyl]methanamine hydrochloride
CID 177794344
[(Dimethylamino)sulfonyl][2-(4-methoxyphenyl)ethyl]amine
CID 884381

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene?
The IUPAC name of 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene (CID 47070253) is 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene.
What is the SMILES notation for 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene?
The canonical SMILES for 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene is COc1ccccc1C1(CNS(=O)(=O)N(C)CCC#N)CCCC1.
What is the InChIKey of 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene?
The InChIKey is CJNFUFXCEHTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-20(13-7-12-18)24(21,22)19-14-17(10-5-6-11-17)15-8-3-4-9-16(15)23-2/h3-4,8-9,19H,5-7,10-11,13-14H2,1-2H3.
What are the key properties of 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene?
1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene has a molecular weight of 351.47 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene is sourced from PubChem (CID 47070253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).